Crystallography Open Database

Information card for entry 1516606

Preview

Coordinates	1516606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24
Calculated formula	C30 H24
SMILES	c1ccc(cc1)C(=C\c1ccccc1)/C=C/C(=C/c1ccccc1)c1ccccc1
Title of publication	Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates.
Authors of publication	Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	12
Pages of publication	3184 - 3187
a	10.58564 ± 0.00019 Å
b	6.27352 ± 0.00011 Å
c	16.626 ± 0.0003 Å
α	90°
β	95.2712 ± 0.001°
γ	90°
Cell volume	1099.45 ± 0.03 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516606.cif
119290	2014-07-05	cif/ Updating files of 1516606 Original log message: Adding full bibliography for 1516606.cif.	1516606.cif
116482	2014-06-13	cif/ Adding structures of 1516606 via cif-deposit CGI script.	1516606.cif